1-(2-chlorophenyl)-2-(4,5-dimorpholin-4-yl-1,3-dithiolan-2-ylidene)butane-1,3-dione

Systemtic Name: 1-(2-chlorophenyl)-2-(4,5-dimorpholin-4-yl-1,3-dithiolan-2-ylidene)butane-1,3-dione Openeye Name: 1-(2-chlorophenyl)-2-(4,5-dimorpholino-1,3-dithiolan-2-ylidene)butane-1,3-dione CAS Name: 2-[4,5-bis(4-morpholinyl)-1,3-dithiolan-2-ylidene]-1-(2-chlorophenyl)butane-1,3-dione IUPAC Name: 1-(2-chlorophenyl)-2-(4,5-dimorpholin-4-yl-1,3-dithiolan-2-ylidene)butane-1,3-dione Traditional Name: 1-(2-chlorophenyl)-2-(4,5-dimorpholino-1,3-dithiolan-2-ylidene)butane-1,3-dione Formula: C21H25ClN2O4S2 MolecularWeight: 469.0172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C1SC(C(S1)N2CCOCC2)N3CCOCC3)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC(=O)C(=C1SC(C(S1)N2CCOCC2)N3CCOCC3)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H25ClN2O4S2/c1-14(25)17(18(26)15-4-2-3-5-16(15)22)21-29-19(23-6-10-27-11-7-23)20(30-21)24-8-12-28-13-9-24/h2-5,19-20H,6-13H2,1H3